USER MOD reduce.3.24.130724 H: found=0, std=0, add=471, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 471 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 SER OG : rot 170:sc= -0.521 USER MOD Set 1.2: A 23 SER OG : rot 46:sc= -0.498! USER MOD Set 2.1: A 10 SER OG : rot 180:sc= -0.0607 USER MOD Set 2.2: A 11 SER OG : rot 41:sc= 0.426 USER MOD Single : A 3 LYS NZ :NH3+ -162:sc= -0.0566 (180deg=-0.491) USER MOD Single : A 4 THR OG1 : rot 46:sc= 0.502 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.0722 K(o=-0.072,f=-2.4!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -61:sc= 0.203 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 33:sc= 0.843 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.0217 K(o=-0.022,f=-1.9!) USER MOD Single : A 33 THR OG1 : rot 67:sc= -0.162 USER MOD Single : A 34 LYS NZ :NH3+ -131:sc= -0.454 (180deg=-1.84) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -141:sc= -2.52 (180deg=-4.43!) USER MOD Single : A 49 TYR OH : rot 180:sc= -0.229 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= -0.207 USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=-0.0044) USER MOD Single : A 55 TYR OH : rot 165:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -133:sc= -3.86! (180deg=-7.18!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 28 N LYS A 3 7.784 5.539 6.249 1.00 0.00 N ATOM 29 CA LYS A 3 8.718 4.737 5.396 1.00 0.00 C ATOM 30 C LYS A 3 8.134 4.595 3.992 1.00 0.00 C ATOM 31 O LYS A 3 6.937 4.672 3.798 1.00 0.00 O ATOM 32 CB LYS A 3 8.908 3.350 6.010 1.00 0.00 C ATOM 33 CG LYS A 3 9.585 3.489 7.372 1.00 0.00 C ATOM 34 CD LYS A 3 9.797 2.103 7.985 1.00 0.00 C ATOM 35 CE LYS A 3 10.369 2.249 9.398 1.00 0.00 C ATOM 36 NZ LYS A 3 11.661 2.990 9.342 1.00 0.00 N ATOM 0 HA LYS A 3 9.681 5.245 5.339 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.944 2.853 6.119 1.00 0.00 H new ATOM 0 HB3 LYS A 3 9.514 2.728 5.351 1.00 0.00 H new ATOM 0 HG2 LYS A 3 10.542 4.000 7.263 1.00 0.00 H new ATOM 0 HG3 LYS A 3 8.971 4.100 8.034 1.00 0.00 H new ATOM 0 HD2 LYS A 3 8.852 1.561 8.018 1.00 0.00 H new ATOM 0 HD3 LYS A 3 10.478 1.520 7.365 1.00 0.00 H new ATOM 0 HE2 LYS A 3 9.661 2.780 10.034 1.00 0.00 H new ATOM 0 HE3 LYS A 3 10.522 1.266 9.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 12.192 2.829 10.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 12.221 2.651 8.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 11.473 4.007 9.232 1.00 0.00 H new ATOM 50 N THR A 4 8.978 4.389 3.008 1.00 0.00 N ATOM 51 CA THR A 4 8.487 4.236 1.601 1.00 0.00 C ATOM 52 C THR A 4 8.610 2.773 1.180 1.00 0.00 C ATOM 53 O THR A 4 9.695 2.221 1.082 1.00 0.00 O ATOM 54 CB THR A 4 9.322 5.117 0.667 1.00 0.00 C ATOM 55 OG1 THR A 4 10.699 4.808 0.828 1.00 0.00 O ATOM 56 CG2 THR A 4 9.078 6.588 1.009 1.00 0.00 C ATOM 0 H THR A 4 9.990 4.320 3.120 1.00 0.00 H new ATOM 0 HA THR A 4 7.443 4.543 1.542 1.00 0.00 H new ATOM 0 HB THR A 4 9.033 4.933 -0.368 1.00 0.00 H new ATOM 0 HG1 THR A 4 10.817 3.835 0.838 1.00 0.00 H new ATOM 0 HG21 THR A 4 9.671 7.219 0.346 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.021 6.821 0.882 1.00 0.00 H new ATOM 0 HG23 THR A 4 9.369 6.774 2.043 1.00 0.00 H new ATOM 64 N GLY A 5 7.490 2.143 0.939 1.00 0.00 N ATOM 65 CA GLY A 5 7.487 0.705 0.530 1.00 0.00 C ATOM 66 C GLY A 5 7.351 0.586 -0.986 1.00 0.00 C ATOM 67 O GLY A 5 6.553 1.263 -1.608 1.00 0.00 O ATOM 0 H GLY A 5 6.565 2.568 1.009 1.00 0.00 H new ATOM 0 HA2 GLY A 5 8.409 0.225 0.858 1.00 0.00 H new ATOM 0 HA3 GLY A 5 6.664 0.183 1.018 1.00 0.00 H new ATOM 71 N ILE A 6 8.127 -0.279 -1.584 1.00 0.00 N ATOM 72 CA ILE A 6 8.057 -0.462 -3.060 1.00 0.00 C ATOM 73 C ILE A 6 6.965 -1.481 -3.396 1.00 0.00 C ATOM 74 O ILE A 6 7.004 -2.620 -2.965 1.00 0.00 O ATOM 75 CB ILE A 6 9.416 -0.956 -3.565 1.00 0.00 C ATOM 76 CG1 ILE A 6 10.458 0.162 -3.402 1.00 0.00 C ATOM 77 CG2 ILE A 6 9.313 -1.337 -5.044 1.00 0.00 C ATOM 78 CD1 ILE A 6 10.673 0.485 -1.915 1.00 0.00 C ATOM 0 H ILE A 6 8.810 -0.869 -1.109 1.00 0.00 H new ATOM 0 HA ILE A 6 7.815 0.484 -3.544 1.00 0.00 H new ATOM 0 HB ILE A 6 9.718 -1.829 -2.987 1.00 0.00 H new ATOM 0 HG12 ILE A 6 11.402 -0.144 -3.854 1.00 0.00 H new ATOM 0 HG13 ILE A 6 10.126 1.056 -3.930 1.00 0.00 H new ATOM 0 HG21 ILE A 6 10.283 -1.688 -5.398 1.00 0.00 H new ATOM 0 HG22 ILE A 6 8.574 -2.129 -5.165 1.00 0.00 H new ATOM 0 HG23 ILE A 6 9.009 -0.466 -5.624 1.00 0.00 H new ATOM 0 HD11 ILE A 6 11.414 1.279 -1.818 1.00 0.00 H new ATOM 0 HD12 ILE A 6 9.731 0.812 -1.474 1.00 0.00 H new ATOM 0 HD13 ILE A 6 11.026 -0.406 -1.396 1.00 0.00 H new ATOM 90 N VAL A 7 5.992 -1.074 -4.167 1.00 0.00 N ATOM 91 CA VAL A 7 4.889 -2.004 -4.542 1.00 0.00 C ATOM 92 C VAL A 7 5.334 -2.868 -5.721 1.00 0.00 C ATOM 93 O VAL A 7 5.391 -2.422 -6.853 1.00 0.00 O ATOM 94 CB VAL A 7 3.655 -1.189 -4.928 1.00 0.00 C ATOM 95 CG1 VAL A 7 2.542 -2.127 -5.399 1.00 0.00 C ATOM 96 CG2 VAL A 7 3.171 -0.400 -3.709 1.00 0.00 C ATOM 0 H VAL A 7 5.914 -0.134 -4.554 1.00 0.00 H new ATOM 0 HA VAL A 7 4.645 -2.650 -3.699 1.00 0.00 H new ATOM 0 HB VAL A 7 3.912 -0.502 -5.735 1.00 0.00 H new ATOM 0 HG11 VAL A 7 1.664 -1.541 -5.673 1.00 0.00 H new ATOM 0 HG12 VAL A 7 2.885 -2.693 -6.265 1.00 0.00 H new ATOM 0 HG13 VAL A 7 2.282 -2.816 -4.595 1.00 0.00 H new ATOM 0 HG21 VAL A 7 2.291 0.183 -3.979 1.00 0.00 H new ATOM 0 HG22 VAL A 7 2.916 -1.091 -2.906 1.00 0.00 H new ATOM 0 HG23 VAL A 7 3.961 0.271 -3.373 1.00 0.00 H new ATOM 106 N ASN A 8 5.656 -4.107 -5.458 1.00 0.00 N ATOM 107 CA ASN A 8 6.112 -5.025 -6.544 1.00 0.00 C ATOM 108 C ASN A 8 4.971 -5.962 -6.942 1.00 0.00 C ATOM 109 O ASN A 8 4.655 -6.911 -6.246 1.00 0.00 O ATOM 110 CB ASN A 8 7.303 -5.837 -6.034 1.00 0.00 C ATOM 111 CG ASN A 8 7.820 -6.745 -7.151 1.00 0.00 C ATOM 112 OD1 ASN A 8 7.537 -7.928 -7.167 1.00 0.00 O ATOM 113 ND2 ASN A 8 8.570 -6.239 -8.089 1.00 0.00 N ATOM 0 H ASN A 8 5.622 -4.526 -4.529 1.00 0.00 H new ATOM 0 HA ASN A 8 6.410 -4.447 -7.419 1.00 0.00 H new ATOM 0 HB2 ASN A 8 8.096 -5.168 -5.699 1.00 0.00 H new ATOM 0 HB3 ASN A 8 7.006 -6.436 -5.173 1.00 0.00 H new ATOM 0 HD21 ASN A 8 8.921 -6.835 -8.839 1.00 0.00 H new ATOM 0 HD22 ASN A 8 8.806 -5.247 -8.074 1.00 0.00 H new ATOM 120 N VAL A 9 4.349 -5.697 -8.063 1.00 0.00 N ATOM 121 CA VAL A 9 3.219 -6.558 -8.533 1.00 0.00 C ATOM 122 C VAL A 9 3.347 -6.807 -10.037 1.00 0.00 C ATOM 123 O VAL A 9 4.076 -6.126 -10.734 1.00 0.00 O ATOM 124 CB VAL A 9 1.883 -5.869 -8.242 1.00 0.00 C ATOM 125 CG1 VAL A 9 1.730 -5.668 -6.733 1.00 0.00 C ATOM 126 CG2 VAL A 9 1.835 -4.512 -8.950 1.00 0.00 C ATOM 0 H VAL A 9 4.577 -4.916 -8.678 1.00 0.00 H new ATOM 0 HA VAL A 9 3.256 -7.510 -8.004 1.00 0.00 H new ATOM 0 HB VAL A 9 1.068 -6.493 -8.609 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.779 -5.177 -6.526 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.756 -6.636 -6.233 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.546 -5.047 -6.364 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.882 -4.026 -8.740 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.650 -3.885 -8.590 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.938 -4.659 -10.025 1.00 0.00 H new ATOM 136 N SER A 10 2.638 -7.784 -10.533 1.00 0.00 N ATOM 137 CA SER A 10 2.696 -8.104 -11.989 1.00 0.00 C ATOM 138 C SER A 10 2.169 -6.916 -12.802 1.00 0.00 C ATOM 139 O SER A 10 2.698 -6.578 -13.846 1.00 0.00 O ATOM 140 CB SER A 10 1.823 -9.329 -12.260 1.00 0.00 C ATOM 141 OG SER A 10 0.483 -9.041 -11.877 1.00 0.00 O ATOM 0 H SER A 10 2.015 -8.380 -9.987 1.00 0.00 H new ATOM 0 HA SER A 10 3.727 -8.307 -12.279 1.00 0.00 H new ATOM 0 HB2 SER A 10 1.863 -9.593 -13.317 1.00 0.00 H new ATOM 0 HB3 SER A 10 2.197 -10.188 -11.703 1.00 0.00 H new ATOM 0 HG SER A 10 -0.082 -9.823 -12.050 1.00 0.00 H new ATOM 147 N SER A 11 1.131 -6.282 -12.335 1.00 0.00 N ATOM 148 CA SER A 11 0.572 -5.119 -13.078 1.00 0.00 C ATOM 149 C SER A 11 -0.355 -4.313 -12.165 1.00 0.00 C ATOM 150 O SER A 11 -1.443 -4.739 -11.824 1.00 0.00 O ATOM 151 CB SER A 11 -0.205 -5.604 -14.303 1.00 0.00 C ATOM 152 OG SER A 11 -1.149 -6.586 -13.905 1.00 0.00 O ATOM 0 H SER A 11 0.645 -6.519 -11.470 1.00 0.00 H new ATOM 0 HA SER A 11 1.394 -4.483 -13.406 1.00 0.00 H new ATOM 0 HB2 SER A 11 -0.714 -4.766 -14.779 1.00 0.00 H new ATOM 0 HB3 SER A 11 0.481 -6.021 -15.041 1.00 0.00 H new ATOM 0 HG SER A 11 -1.564 -6.317 -13.059 1.00 0.00 H new ATOM 158 N SER A 12 0.080 -3.146 -11.783 1.00 0.00 N ATOM 159 CA SER A 12 -0.740 -2.268 -10.899 1.00 0.00 C ATOM 160 C SER A 12 -1.197 -3.017 -9.649 1.00 0.00 C ATOM 161 O SER A 12 -1.108 -4.227 -9.555 1.00 0.00 O ATOM 162 CB SER A 12 -1.966 -1.761 -11.662 1.00 0.00 C ATOM 163 OG SER A 12 -1.602 -1.504 -13.009 1.00 0.00 O ATOM 0 H SER A 12 0.984 -2.756 -12.050 1.00 0.00 H new ATOM 0 HA SER A 12 -0.120 -1.426 -10.592 1.00 0.00 H new ATOM 0 HB2 SER A 12 -2.765 -2.501 -11.623 1.00 0.00 H new ATOM 0 HB3 SER A 12 -2.349 -0.853 -11.196 1.00 0.00 H new ATOM 0 HG SER A 12 -2.384 -1.181 -13.503 1.00 0.00 H new ATOM 169 N LEU A 13 -1.690 -2.287 -8.682 1.00 0.00 N ATOM 170 CA LEU A 13 -2.167 -2.921 -7.423 1.00 0.00 C ATOM 171 C LEU A 13 -3.459 -2.248 -6.960 1.00 0.00 C ATOM 172 O LEU A 13 -3.557 -1.039 -6.890 1.00 0.00 O ATOM 173 CB LEU A 13 -1.094 -2.793 -6.337 1.00 0.00 C ATOM 174 CG LEU A 13 -1.638 -3.319 -4.998 1.00 0.00 C ATOM 175 CD1 LEU A 13 -2.148 -4.761 -5.161 1.00 0.00 C ATOM 176 CD2 LEU A 13 -0.519 -3.285 -3.953 1.00 0.00 C ATOM 0 H LEU A 13 -1.782 -1.272 -8.714 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.362 -3.977 -7.607 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.205 -3.355 -6.624 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.793 -1.751 -6.233 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.466 -2.688 -4.674 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.530 -5.122 -4.206 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.946 -4.783 -5.903 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.329 -5.402 -5.489 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.899 -3.657 -3.001 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.308 -3.913 -4.284 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.168 -2.260 -3.828 1.00 0.00 H new ATOM 188 N ASN A 14 -4.444 -3.039 -6.638 1.00 0.00 N ATOM 189 CA ASN A 14 -5.744 -2.486 -6.168 1.00 0.00 C ATOM 190 C ASN A 14 -5.639 -2.087 -4.694 1.00 0.00 C ATOM 191 O ASN A 14 -5.004 -2.755 -3.897 1.00 0.00 O ATOM 192 CB ASN A 14 -6.827 -3.552 -6.337 1.00 0.00 C ATOM 193 CG ASN A 14 -7.161 -3.712 -7.821 1.00 0.00 C ATOM 194 OD1 ASN A 14 -6.873 -2.841 -8.619 1.00 0.00 O ATOM 195 ND2 ASN A 14 -7.762 -4.797 -8.229 1.00 0.00 N ATOM 0 H ASN A 14 -4.403 -4.057 -6.681 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.999 -1.603 -6.754 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.484 -4.502 -5.926 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -7.721 -3.268 -5.781 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -7.989 -4.913 -9.216 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -8.004 -5.528 -7.560 1.00 0.00 H new ATOM 202 N VAL A 15 -6.261 -0.998 -4.330 1.00 0.00 N ATOM 203 CA VAL A 15 -6.212 -0.524 -2.915 1.00 0.00 C ATOM 204 C VAL A 15 -7.485 -0.952 -2.183 1.00 0.00 C ATOM 205 O VAL A 15 -8.588 -0.750 -2.656 1.00 0.00 O ATOM 206 CB VAL A 15 -6.103 1.002 -2.909 1.00 0.00 C ATOM 207 CG1 VAL A 15 -6.247 1.528 -1.479 1.00 0.00 C ATOM 208 CG2 VAL A 15 -4.740 1.409 -3.468 1.00 0.00 C ATOM 0 H VAL A 15 -6.807 -0.410 -4.959 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.350 -0.959 -2.410 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.896 1.425 -3.526 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.168 2.615 -1.482 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.218 1.235 -1.080 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.457 1.109 -0.856 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.656 2.496 -3.466 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.951 0.983 -2.848 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.640 1.039 -4.488 1.00 0.00 H new ATOM 218 N ARG A 16 -7.336 -1.543 -1.024 1.00 0.00 N ATOM 219 CA ARG A 16 -8.523 -1.996 -0.240 1.00 0.00 C ATOM 220 C ARG A 16 -8.780 -1.027 0.913 1.00 0.00 C ATOM 221 O ARG A 16 -7.877 -0.637 1.631 1.00 0.00 O ATOM 222 CB ARG A 16 -8.250 -3.391 0.326 1.00 0.00 C ATOM 223 CG ARG A 16 -8.197 -4.409 -0.816 1.00 0.00 C ATOM 224 CD ARG A 16 -7.857 -5.788 -0.249 1.00 0.00 C ATOM 225 NE ARG A 16 -7.853 -6.798 -1.349 1.00 0.00 N ATOM 226 CZ ARG A 16 -6.771 -7.023 -2.052 1.00 0.00 C ATOM 227 NH1 ARG A 16 -5.672 -6.361 -1.809 1.00 0.00 N ATOM 228 NH2 ARG A 16 -6.794 -7.914 -3.003 1.00 0.00 N ATOM 0 H ARG A 16 -6.435 -1.732 -0.585 1.00 0.00 H new ATOM 0 HA ARG A 16 -9.397 -2.024 -0.891 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -7.307 -3.394 0.873 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -9.031 -3.666 1.035 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -9.156 -4.442 -1.334 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -7.449 -4.110 -1.550 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -6.882 -5.762 0.237 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -8.585 -6.068 0.512 1.00 0.00 H new ATOM 0 HE ARG A 16 -8.705 -7.320 -1.556 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.651 -5.662 -1.067 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.834 -6.543 -2.362 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -7.651 -8.432 -3.196 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.955 -8.094 -3.554 1.00 0.00 H new ATOM 242 N GLU A 17 -10.012 -0.646 1.095 1.00 0.00 N ATOM 243 CA GLU A 17 -10.359 0.291 2.201 1.00 0.00 C ATOM 244 C GLU A 17 -10.246 -0.436 3.546 1.00 0.00 C ATOM 245 O GLU A 17 -9.808 0.120 4.537 1.00 0.00 O ATOM 246 CB GLU A 17 -11.800 0.779 2.000 1.00 0.00 C ATOM 247 CG GLU A 17 -12.026 2.085 2.768 1.00 0.00 C ATOM 248 CD GLU A 17 -11.941 1.818 4.271 1.00 0.00 C ATOM 249 OE1 GLU A 17 -12.342 0.743 4.687 1.00 0.00 O ATOM 250 OE2 GLU A 17 -11.472 2.693 4.981 1.00 0.00 O ATOM 0 H GLU A 17 -10.800 -0.945 0.521 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.675 1.140 2.196 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.995 0.934 0.939 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.501 0.019 2.345 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -11.279 2.824 2.477 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -13.001 2.502 2.517 1.00 0.00 H new ATOM 257 N GLY A 18 -10.657 -1.675 3.587 1.00 0.00 N ATOM 258 CA GLY A 18 -10.600 -2.449 4.863 1.00 0.00 C ATOM 259 C GLY A 18 -9.268 -3.192 4.973 1.00 0.00 C ATOM 260 O GLY A 18 -8.471 -3.213 4.056 1.00 0.00 O ATOM 0 H GLY A 18 -11.032 -2.187 2.789 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -10.719 -1.775 5.711 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.425 -3.160 4.902 1.00 0.00 H new ATOM 264 N ALA A 19 -9.026 -3.810 6.099 1.00 0.00 N ATOM 265 CA ALA A 19 -7.752 -4.563 6.294 1.00 0.00 C ATOM 266 C ALA A 19 -7.947 -6.019 5.847 1.00 0.00 C ATOM 267 O ALA A 19 -7.076 -6.852 6.006 1.00 0.00 O ATOM 268 CB ALA A 19 -7.379 -4.530 7.779 1.00 0.00 C ATOM 0 H ALA A 19 -9.661 -3.825 6.897 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.957 -4.108 5.703 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.449 -5.078 7.933 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.248 -3.496 8.098 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.174 -4.993 8.364 1.00 0.00 H new ATOM 274 N SER A 20 -9.089 -6.328 5.294 1.00 0.00 N ATOM 275 CA SER A 20 -9.351 -7.730 4.848 1.00 0.00 C ATOM 276 C SER A 20 -8.656 -8.003 3.510 1.00 0.00 C ATOM 277 O SER A 20 -8.207 -7.100 2.827 1.00 0.00 O ATOM 278 CB SER A 20 -10.859 -7.946 4.691 1.00 0.00 C ATOM 279 OG SER A 20 -11.268 -7.520 3.397 1.00 0.00 O ATOM 0 H SER A 20 -9.853 -5.672 5.131 1.00 0.00 H new ATOM 0 HA SER A 20 -8.957 -8.416 5.598 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.103 -8.999 4.833 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.399 -7.388 5.456 1.00 0.00 H new ATOM 0 HG SER A 20 -12.192 -7.803 3.236 1.00 0.00 H new ATOM 285 N THR A 21 -8.574 -9.253 3.137 1.00 0.00 N ATOM 286 CA THR A 21 -7.920 -9.622 1.849 1.00 0.00 C ATOM 287 C THR A 21 -8.791 -9.158 0.677 1.00 0.00 C ATOM 288 O THR A 21 -8.328 -9.005 -0.438 1.00 0.00 O ATOM 289 CB THR A 21 -7.748 -11.143 1.790 1.00 0.00 C ATOM 290 OG1 THR A 21 -7.483 -11.537 0.451 1.00 0.00 O ATOM 291 CG2 THR A 21 -9.027 -11.835 2.276 1.00 0.00 C ATOM 0 H THR A 21 -8.936 -10.040 3.675 1.00 0.00 H new ATOM 0 HA THR A 21 -6.945 -9.140 1.783 1.00 0.00 H new ATOM 0 HB THR A 21 -6.916 -11.432 2.432 1.00 0.00 H new ATOM 0 HG1 THR A 21 -7.371 -12.510 0.412 1.00 0.00 H new ATOM 0 HG21 THR A 21 -8.896 -12.916 2.231 1.00 0.00 H new ATOM 0 HG22 THR A 21 -9.234 -11.537 3.304 1.00 0.00 H new ATOM 0 HG23 THR A 21 -9.863 -11.544 1.639 1.00 0.00 H new ATOM 299 N SER A 22 -10.051 -8.935 0.922 1.00 0.00 N ATOM 300 CA SER A 22 -10.959 -8.482 -0.170 1.00 0.00 C ATOM 301 C SER A 22 -12.086 -7.636 0.436 1.00 0.00 C ATOM 302 O SER A 22 -13.247 -7.991 0.381 1.00 0.00 O ATOM 303 CB SER A 22 -11.542 -9.701 -0.888 1.00 0.00 C ATOM 304 OG SER A 22 -12.439 -9.266 -1.902 1.00 0.00 O ATOM 0 H SER A 22 -10.494 -9.047 1.834 1.00 0.00 H new ATOM 0 HA SER A 22 -10.404 -7.881 -0.891 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.741 -10.296 -1.326 1.00 0.00 H new ATOM 0 HB3 SER A 22 -12.063 -10.342 -0.176 1.00 0.00 H new ATOM 0 HG SER A 22 -13.173 -8.760 -1.495 1.00 0.00 H new ATOM 310 N SER A 23 -11.737 -6.515 1.015 1.00 0.00 N ATOM 311 CA SER A 23 -12.767 -5.624 1.630 1.00 0.00 C ATOM 312 C SER A 23 -13.528 -4.886 0.525 1.00 0.00 C ATOM 313 O SER A 23 -14.627 -5.253 0.152 1.00 0.00 O ATOM 314 CB SER A 23 -12.070 -4.602 2.531 1.00 0.00 C ATOM 315 OG SER A 23 -11.672 -5.227 3.744 1.00 0.00 O ATOM 0 H SER A 23 -10.777 -6.177 1.088 1.00 0.00 H new ATOM 0 HA SER A 23 -13.465 -6.221 2.217 1.00 0.00 H new ATOM 0 HB2 SER A 23 -11.200 -4.187 2.022 1.00 0.00 H new ATOM 0 HB3 SER A 23 -12.742 -3.771 2.742 1.00 0.00 H new ATOM 0 HG SER A 23 -11.240 -6.084 3.544 1.00 0.00 H new ATOM 321 N LYS A 24 -12.944 -3.847 -0.009 1.00 0.00 N ATOM 322 CA LYS A 24 -13.624 -3.082 -1.093 1.00 0.00 C ATOM 323 C LYS A 24 -12.600 -2.255 -1.868 1.00 0.00 C ATOM 324 O LYS A 24 -11.910 -1.416 -1.318 1.00 0.00 O ATOM 325 CB LYS A 24 -14.682 -2.152 -0.502 1.00 0.00 C ATOM 326 CG LYS A 24 -15.480 -1.507 -1.643 1.00 0.00 C ATOM 327 CD LYS A 24 -16.521 -0.536 -1.077 1.00 0.00 C ATOM 328 CE LYS A 24 -17.665 -1.309 -0.414 1.00 0.00 C ATOM 329 NZ LYS A 24 -18.817 -0.394 -0.190 1.00 0.00 N ATOM 0 H LYS A 24 -12.025 -3.495 0.259 1.00 0.00 H new ATOM 0 HA LYS A 24 -14.106 -3.790 -1.767 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -15.349 -2.711 0.154 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -14.208 -1.382 0.107 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -14.805 -0.977 -2.315 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -15.975 -2.279 -2.232 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -16.052 0.127 -0.350 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -16.913 0.093 -1.876 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -17.968 -2.144 -1.045 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -17.332 -1.731 0.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -19.594 -0.918 0.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -18.523 0.389 0.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -19.140 -0.012 -1.102 1.00 0.00 H new ATOM 343 N VAL A 25 -12.504 -2.488 -3.146 1.00 0.00 N ATOM 344 CA VAL A 25 -11.540 -1.725 -3.981 1.00 0.00 C ATOM 345 C VAL A 25 -12.071 -0.312 -4.216 1.00 0.00 C ATOM 346 O VAL A 25 -13.201 -0.117 -4.625 1.00 0.00 O ATOM 347 CB VAL A 25 -11.366 -2.444 -5.318 1.00 0.00 C ATOM 348 CG1 VAL A 25 -10.518 -1.590 -6.264 1.00 0.00 C ATOM 349 CG2 VAL A 25 -10.668 -3.784 -5.077 1.00 0.00 C ATOM 0 H VAL A 25 -13.057 -3.180 -3.651 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.578 -1.661 -3.472 1.00 0.00 H new ATOM 0 HB VAL A 25 -12.344 -2.610 -5.770 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.399 -2.110 -7.215 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.013 -0.634 -6.433 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.538 -1.418 -5.819 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -10.540 -4.304 -6.027 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.692 -3.610 -4.624 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.274 -4.395 -4.408 1.00 0.00 H new ATOM 359 N ILE A 26 -11.251 0.672 -3.960 1.00 0.00 N ATOM 360 CA ILE A 26 -11.658 2.094 -4.155 1.00 0.00 C ATOM 361 C ILE A 26 -10.732 2.747 -5.183 1.00 0.00 C ATOM 362 O ILE A 26 -10.973 3.843 -5.648 1.00 0.00 O ATOM 363 CB ILE A 26 -11.559 2.822 -2.812 1.00 0.00 C ATOM 364 CG1 ILE A 26 -10.149 2.652 -2.229 1.00 0.00 C ATOM 365 CG2 ILE A 26 -12.585 2.234 -1.841 1.00 0.00 C ATOM 366 CD1 ILE A 26 -9.993 3.551 -0.999 1.00 0.00 C ATOM 0 H ILE A 26 -10.298 0.547 -3.617 1.00 0.00 H new ATOM 0 HA ILE A 26 -12.683 2.149 -4.521 1.00 0.00 H new ATOM 0 HB ILE A 26 -11.759 3.883 -2.962 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -9.980 1.611 -1.955 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.401 2.910 -2.978 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -12.517 2.750 -0.883 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -13.587 2.359 -2.251 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -12.382 1.173 -1.696 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -8.992 3.430 -0.585 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -10.144 4.591 -1.287 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -10.732 3.272 -0.248 1.00 0.00 H new ATOM 378 N GLY A 27 -9.670 2.076 -5.544 1.00 0.00 N ATOM 379 CA GLY A 27 -8.730 2.664 -6.541 1.00 0.00 C ATOM 380 C GLY A 27 -7.563 1.707 -6.794 1.00 0.00 C ATOM 381 O GLY A 27 -7.583 0.560 -6.391 1.00 0.00 O ATOM 0 H GLY A 27 -9.415 1.153 -5.194 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.256 2.863 -7.475 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.354 3.620 -6.177 1.00 0.00 H new ATOM 385 N SER A 28 -6.547 2.178 -7.468 1.00 0.00 N ATOM 386 CA SER A 28 -5.371 1.308 -7.760 1.00 0.00 C ATOM 387 C SER A 28 -4.124 2.170 -7.955 1.00 0.00 C ATOM 388 O SER A 28 -4.204 3.327 -8.326 1.00 0.00 O ATOM 389 CB SER A 28 -5.626 0.503 -9.031 1.00 0.00 C ATOM 390 OG SER A 28 -4.464 -0.258 -9.341 1.00 0.00 O ATOM 0 H SER A 28 -6.481 3.130 -7.829 1.00 0.00 H new ATOM 0 HA SER A 28 -5.218 0.629 -6.922 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.482 -0.157 -8.892 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.869 1.171 -9.857 1.00 0.00 H new ATOM 0 HG SER A 28 -4.013 -0.520 -8.511 1.00 0.00 H new ATOM 396 N LEU A 29 -2.969 1.603 -7.709 1.00 0.00 N ATOM 397 CA LEU A 29 -1.688 2.357 -7.870 1.00 0.00 C ATOM 398 C LEU A 29 -0.784 1.623 -8.857 1.00 0.00 C ATOM 399 O LEU A 29 -0.836 0.414 -8.993 1.00 0.00 O ATOM 400 CB LEU A 29 -0.978 2.453 -6.519 1.00 0.00 C ATOM 401 CG LEU A 29 -1.888 3.148 -5.501 1.00 0.00 C ATOM 402 CD1 LEU A 29 -1.175 3.203 -4.146 1.00 0.00 C ATOM 403 CD2 LEU A 29 -2.214 4.575 -5.975 1.00 0.00 C ATOM 0 H LEU A 29 -2.858 0.637 -7.400 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.905 3.358 -8.244 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.715 1.456 -6.164 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.046 3.009 -6.626 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.818 2.588 -5.404 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.817 3.697 -3.417 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.955 2.190 -3.809 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.245 3.762 -4.247 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.861 5.062 -5.245 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.290 5.144 -6.077 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.722 4.531 -6.938 1.00 0.00 H new ATOM 415 N SER A 30 0.040 2.357 -9.548 1.00 0.00 N ATOM 416 CA SER A 30 0.958 1.739 -10.542 1.00 0.00 C ATOM 417 C SER A 30 2.034 0.914 -9.832 1.00 0.00 C ATOM 418 O SER A 30 2.416 1.187 -8.708 1.00 0.00 O ATOM 419 CB SER A 30 1.619 2.843 -11.364 1.00 0.00 C ATOM 420 OG SER A 30 0.688 3.340 -12.316 1.00 0.00 O ATOM 0 H SER A 30 0.117 3.371 -9.465 1.00 0.00 H new ATOM 0 HA SER A 30 0.387 1.079 -11.195 1.00 0.00 H new ATOM 0 HB2 SER A 30 1.953 3.649 -10.710 1.00 0.00 H new ATOM 0 HB3 SER A 30 2.503 2.456 -11.870 1.00 0.00 H new ATOM 0 HG SER A 30 1.108 4.050 -12.845 1.00 0.00 H new ATOM 426 N GLY A 31 2.516 -0.098 -10.495 1.00 0.00 N ATOM 427 CA GLY A 31 3.563 -0.971 -9.899 1.00 0.00 C ATOM 428 C GLY A 31 4.877 -0.208 -9.725 1.00 0.00 C ATOM 429 O GLY A 31 5.070 0.867 -10.264 1.00 0.00 O ATOM 0 H GLY A 31 2.225 -0.361 -11.437 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.224 -1.344 -8.933 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.724 -1.840 -10.537 1.00 0.00 H new ATOM 433 N ASN A 32 5.778 -0.773 -8.960 1.00 0.00 N ATOM 434 CA ASN A 32 7.101 -0.126 -8.710 1.00 0.00 C ATOM 435 C ASN A 32 6.886 1.268 -8.116 1.00 0.00 C ATOM 436 O ASN A 32 7.810 2.045 -7.967 1.00 0.00 O ATOM 437 CB ASN A 32 7.892 -0.018 -10.021 1.00 0.00 C ATOM 438 CG ASN A 32 8.358 -1.409 -10.452 1.00 0.00 C ATOM 439 OD1 ASN A 32 8.402 -2.325 -9.655 1.00 0.00 O ATOM 440 ND2 ASN A 32 8.711 -1.607 -11.693 1.00 0.00 N ATOM 0 H ASN A 32 5.649 -1.670 -8.491 1.00 0.00 H new ATOM 0 HA ASN A 32 7.669 -0.735 -8.006 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.270 0.426 -10.798 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.751 0.639 -9.887 1.00 0.00 H new ATOM 0 HD21 ASN A 32 9.024 -2.530 -11.993 1.00 0.00 H new ATOM 0 HD22 ASN A 32 8.674 -0.838 -12.363 1.00 0.00 H new ATOM 447 N THR A 33 5.669 1.585 -7.773 1.00 0.00 N ATOM 448 CA THR A 33 5.372 2.924 -7.187 1.00 0.00 C ATOM 449 C THR A 33 5.538 2.885 -5.665 1.00 0.00 C ATOM 450 O THR A 33 5.078 1.977 -4.994 1.00 0.00 O ATOM 451 CB THR A 33 3.941 3.327 -7.538 1.00 0.00 C ATOM 452 OG1 THR A 33 3.766 3.240 -8.945 1.00 0.00 O ATOM 453 CG2 THR A 33 3.691 4.766 -7.083 1.00 0.00 C ATOM 0 H THR A 33 4.861 0.971 -7.874 1.00 0.00 H new ATOM 0 HA THR A 33 6.069 3.654 -7.598 1.00 0.00 H new ATOM 0 HB THR A 33 3.238 2.661 -7.037 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.819 2.302 -9.224 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.670 5.055 -7.333 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.834 4.837 -6.005 1.00 0.00 H new ATOM 0 HG23 THR A 33 4.390 5.433 -7.587 1.00 0.00 H new ATOM 461 N LYS A 34 6.198 3.871 -5.122 1.00 0.00 N ATOM 462 CA LYS A 34 6.413 3.924 -3.649 1.00 0.00 C ATOM 463 C LYS A 34 5.143 4.409 -2.950 1.00 0.00 C ATOM 464 O LYS A 34 4.401 5.220 -3.474 1.00 0.00 O ATOM 465 CB LYS A 34 7.560 4.887 -3.344 1.00 0.00 C ATOM 466 CG LYS A 34 8.876 4.280 -3.831 1.00 0.00 C ATOM 467 CD LYS A 34 10.030 5.233 -3.516 1.00 0.00 C ATOM 468 CE LYS A 34 11.338 4.645 -4.051 1.00 0.00 C ATOM 469 NZ LYS A 34 11.596 3.329 -3.401 1.00 0.00 N ATOM 0 H LYS A 34 6.602 4.650 -5.642 1.00 0.00 H new ATOM 0 HA LYS A 34 6.659 2.926 -3.286 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.385 5.845 -3.834 1.00 0.00 H new ATOM 0 HB3 LYS A 34 7.611 5.082 -2.273 1.00 0.00 H new ATOM 0 HG2 LYS A 34 9.044 3.317 -3.348 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.827 4.094 -4.904 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.845 6.207 -3.968 1.00 0.00 H new ATOM 0 HD3 LYS A 34 10.103 5.390 -2.440 1.00 0.00 H new ATOM 0 HE2 LYS A 34 11.278 4.523 -5.132 1.00 0.00 H new ATOM 0 HE3 LYS A 34 12.164 5.328 -3.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 12.574 3.302 -3.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.937 3.199 -2.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 11.458 2.566 -4.094 1.00 0.00 H new ATOM 483 N VAL A 35 4.892 3.914 -1.761 1.00 0.00 N ATOM 484 CA VAL A 35 3.675 4.332 -0.996 1.00 0.00 C ATOM 485 C VAL A 35 4.086 4.821 0.392 1.00 0.00 C ATOM 486 O VAL A 35 4.865 4.190 1.088 1.00 0.00 O ATOM 487 CB VAL A 35 2.705 3.155 -0.873 1.00 0.00 C ATOM 488 CG1 VAL A 35 2.046 2.908 -2.230 1.00 0.00 C ATOM 489 CG2 VAL A 35 3.456 1.893 -0.437 1.00 0.00 C ATOM 0 H VAL A 35 5.483 3.233 -1.285 1.00 0.00 H new ATOM 0 HA VAL A 35 3.176 5.143 -1.528 1.00 0.00 H new ATOM 0 HB VAL A 35 1.947 3.391 -0.126 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.353 2.070 -2.151 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.502 3.801 -2.538 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.812 2.676 -2.970 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.755 1.063 -0.353 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.219 1.650 -1.176 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.929 2.067 0.529 1.00 0.00 H new ATOM 499 N THR A 36 3.565 5.953 0.786 1.00 0.00 N ATOM 500 CA THR A 36 3.906 6.526 2.116 1.00 0.00 C ATOM 501 C THR A 36 3.393 5.616 3.226 1.00 0.00 C ATOM 502 O THR A 36 2.234 5.237 3.256 1.00 0.00 O ATOM 503 CB THR A 36 3.265 7.905 2.251 1.00 0.00 C ATOM 504 OG1 THR A 36 3.653 8.712 1.150 1.00 0.00 O ATOM 505 CG2 THR A 36 3.725 8.558 3.554 1.00 0.00 C ATOM 0 H THR A 36 2.911 6.509 0.235 1.00 0.00 H new ATOM 0 HA THR A 36 4.989 6.613 2.201 1.00 0.00 H new ATOM 0 HB THR A 36 2.180 7.804 2.264 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.242 9.598 1.233 1.00 0.00 H new ATOM 0 HG21 THR A 36 3.267 9.542 3.649 1.00 0.00 H new ATOM 0 HG22 THR A 36 3.427 7.936 4.398 1.00 0.00 H new ATOM 0 HG23 THR A 36 4.810 8.662 3.546 1.00 0.00 H new ATOM 513 N ILE A 37 4.255 5.277 4.145 1.00 0.00 N ATOM 514 CA ILE A 37 3.859 4.393 5.274 1.00 0.00 C ATOM 515 C ILE A 37 3.659 5.231 6.526 1.00 0.00 C ATOM 516 O ILE A 37 4.537 5.968 6.946 1.00 0.00 O ATOM 517 CB ILE A 37 4.970 3.367 5.518 1.00 0.00 C ATOM 518 CG1 ILE A 37 5.214 2.543 4.236 1.00 0.00 C ATOM 519 CG2 ILE A 37 4.576 2.438 6.679 1.00 0.00 C ATOM 520 CD1 ILE A 37 4.214 1.381 4.149 1.00 0.00 C ATOM 0 H ILE A 37 5.229 5.580 4.160 1.00 0.00 H new ATOM 0 HA ILE A 37 2.929 3.878 5.032 1.00 0.00 H new ATOM 0 HB ILE A 37 5.890 3.890 5.781 1.00 0.00 H new ATOM 0 HG12 ILE A 37 5.114 3.184 3.360 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.233 2.156 4.233 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.370 1.710 6.848 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.426 3.029 7.583 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.652 1.916 6.430 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.399 0.809 3.240 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.334 0.732 5.016 1.00 0.00 H new ATOM 0 HD13 ILE A 37 3.198 1.776 4.129 1.00 0.00 H new ATOM 532 N VAL A 38 2.500 5.113 7.121 1.00 0.00 N ATOM 533 CA VAL A 38 2.181 5.875 8.361 1.00 0.00 C ATOM 534 C VAL A 38 1.819 4.888 9.470 1.00 0.00 C ATOM 535 O VAL A 38 1.730 5.244 10.630 1.00 0.00 O ATOM 536 CB VAL A 38 0.995 6.809 8.089 1.00 0.00 C ATOM 537 CG1 VAL A 38 1.459 7.991 7.235 1.00 0.00 C ATOM 538 CG2 VAL A 38 -0.110 6.046 7.342 1.00 0.00 C ATOM 0 H VAL A 38 1.748 4.508 6.791 1.00 0.00 H new ATOM 0 HA VAL A 38 3.042 6.468 8.668 1.00 0.00 H new ATOM 0 HB VAL A 38 0.604 7.174 9.039 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.616 8.654 7.042 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.238 8.539 7.765 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.855 7.623 6.288 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.949 6.715 7.152 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.281 5.675 6.394 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.446 5.206 7.949 1.00 0.00 H new ATOM 548 N GLY A 39 1.612 3.643 9.128 1.00 0.00 N ATOM 549 CA GLY A 39 1.258 2.642 10.175 1.00 0.00 C ATOM 550 C GLY A 39 1.051 1.259 9.552 1.00 0.00 C ATOM 551 O GLY A 39 1.288 1.045 8.379 1.00 0.00 O ATOM 0 H GLY A 39 1.672 3.279 8.177 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.050 2.595 10.923 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.350 2.954 10.691 1.00 0.00 H new ATOM 555 N GLU A 40 0.613 0.314 10.347 1.00 0.00 N ATOM 556 CA GLU A 40 0.387 -1.071 9.835 1.00 0.00 C ATOM 557 C GLU A 40 -0.766 -1.725 10.599 1.00 0.00 C ATOM 558 O GLU A 40 -1.158 -1.281 11.663 1.00 0.00 O ATOM 559 CB GLU A 40 1.661 -1.906 10.022 1.00 0.00 C ATOM 560 CG GLU A 40 1.996 -2.027 11.514 1.00 0.00 C ATOM 561 CD GLU A 40 3.333 -2.755 11.678 1.00 0.00 C ATOM 562 OE1 GLU A 40 4.228 -2.492 10.892 1.00 0.00 O ATOM 563 OE2 GLU A 40 3.438 -3.565 12.585 1.00 0.00 O ATOM 0 H GLU A 40 0.401 0.445 11.336 1.00 0.00 H new ATOM 0 HA GLU A 40 0.137 -1.022 8.775 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.522 -2.897 9.591 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.492 -1.441 9.491 1.00 0.00 H new ATOM 0 HG2 GLU A 40 2.050 -1.037 11.967 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.207 -2.572 12.032 1.00 0.00 H new ATOM 570 N GLU A 41 -1.307 -2.784 10.061 1.00 0.00 N ATOM 571 CA GLU A 41 -2.432 -3.484 10.740 1.00 0.00 C ATOM 572 C GLU A 41 -2.484 -4.943 10.272 1.00 0.00 C ATOM 573 O GLU A 41 -2.757 -5.232 9.122 1.00 0.00 O ATOM 574 CB GLU A 41 -3.755 -2.787 10.407 1.00 0.00 C ATOM 575 CG GLU A 41 -4.897 -3.473 11.164 1.00 0.00 C ATOM 576 CD GLU A 41 -6.214 -2.745 10.882 1.00 0.00 C ATOM 577 OE1 GLU A 41 -6.159 -1.634 10.380 1.00 0.00 O ATOM 578 OE2 GLU A 41 -7.253 -3.311 11.177 1.00 0.00 O ATOM 0 H GLU A 41 -1.015 -3.196 9.175 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.276 -3.455 11.818 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.703 -1.734 10.682 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.940 -2.827 9.334 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.974 -4.516 10.858 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.690 -3.470 12.234 1.00 0.00 H new ATOM 585 N GLY A 42 -2.227 -5.856 11.168 1.00 0.00 N ATOM 586 CA GLY A 42 -2.261 -7.306 10.815 1.00 0.00 C ATOM 587 C GLY A 42 -1.227 -7.630 9.735 1.00 0.00 C ATOM 588 O GLY A 42 -0.097 -7.183 9.776 1.00 0.00 O ATOM 0 H GLY A 42 -1.992 -5.658 12.141 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.064 -7.905 11.704 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.257 -7.575 10.463 1.00 0.00 H new ATOM 592 N ALA A 43 -1.616 -8.414 8.767 1.00 0.00 N ATOM 593 CA ALA A 43 -0.680 -8.785 7.670 1.00 0.00 C ATOM 594 C ALA A 43 -0.847 -7.788 6.525 1.00 0.00 C ATOM 595 O ALA A 43 -0.635 -8.105 5.368 1.00 0.00 O ATOM 596 CB ALA A 43 -1.013 -10.197 7.183 1.00 0.00 C ATOM 0 H ALA A 43 -2.550 -8.816 8.689 1.00 0.00 H new ATOM 0 HA ALA A 43 0.350 -8.763 8.027 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.331 -10.475 6.379 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.907 -10.901 8.008 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.038 -10.222 6.814 1.00 0.00 H new ATOM 602 N PHE A 44 -1.230 -6.578 6.846 1.00 0.00 N ATOM 603 CA PHE A 44 -1.424 -5.537 5.794 1.00 0.00 C ATOM 604 C PHE A 44 -0.774 -4.232 6.245 1.00 0.00 C ATOM 605 O PHE A 44 -0.687 -3.941 7.423 1.00 0.00 O ATOM 606 CB PHE A 44 -2.916 -5.296 5.576 1.00 0.00 C ATOM 607 CG PHE A 44 -3.583 -6.592 5.193 1.00 0.00 C ATOM 608 CD1 PHE A 44 -4.013 -7.476 6.190 1.00 0.00 C ATOM 609 CD2 PHE A 44 -3.771 -6.911 3.843 1.00 0.00 C ATOM 610 CE1 PHE A 44 -4.632 -8.680 5.837 1.00 0.00 C ATOM 611 CE2 PHE A 44 -4.390 -8.116 3.490 1.00 0.00 C ATOM 612 CZ PHE A 44 -4.821 -9.000 4.486 1.00 0.00 C ATOM 0 H PHE A 44 -1.418 -6.266 7.799 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.968 -5.879 4.865 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.367 -4.897 6.484 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -3.065 -4.553 4.793 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.867 -7.229 7.231 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -3.439 -6.228 3.075 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.964 -9.362 6.605 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.535 -8.364 2.449 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.299 -9.929 4.213 1.00 0.00 H new ATOM 622 N TYR A 45 -0.320 -3.444 5.307 1.00 0.00 N ATOM 623 CA TYR A 45 0.332 -2.143 5.642 1.00 0.00 C ATOM 624 C TYR A 45 -0.620 -0.993 5.323 1.00 0.00 C ATOM 625 O TYR A 45 -1.312 -0.992 4.321 1.00 0.00 O ATOM 626 CB TYR A 45 1.628 -1.994 4.824 1.00 0.00 C ATOM 627 CG TYR A 45 2.791 -2.562 5.604 1.00 0.00 C ATOM 628 CD1 TYR A 45 3.160 -1.967 6.815 1.00 0.00 C ATOM 629 CD2 TYR A 45 3.493 -3.675 5.127 1.00 0.00 C ATOM 630 CE1 TYR A 45 4.228 -2.481 7.551 1.00 0.00 C ATOM 631 CE2 TYR A 45 4.566 -4.189 5.865 1.00 0.00 C ATOM 632 CZ TYR A 45 4.932 -3.593 7.076 1.00 0.00 C ATOM 633 OH TYR A 45 5.986 -4.100 7.804 1.00 0.00 O ATOM 0 H TYR A 45 -0.374 -3.649 4.309 1.00 0.00 H new ATOM 0 HA TYR A 45 0.573 -2.120 6.705 1.00 0.00 H new ATOM 0 HB2 TYR A 45 1.529 -2.513 3.870 1.00 0.00 H new ATOM 0 HB3 TYR A 45 1.808 -0.943 4.598 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.617 -1.108 7.181 1.00 0.00 H new ATOM 0 HD2 TYR A 45 3.208 -4.136 4.193 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.511 -2.021 8.486 1.00 0.00 H new ATOM 0 HE2 TYR A 45 5.111 -5.046 5.499 1.00 0.00 H new ATOM 0 HH TYR A 45 6.366 -4.872 7.335 1.00 0.00 H new ATOM 643 N LYS A 46 -0.651 -0.013 6.182 1.00 0.00 N ATOM 644 CA LYS A 46 -1.541 1.158 5.970 1.00 0.00 C ATOM 645 C LYS A 46 -0.740 2.286 5.326 1.00 0.00 C ATOM 646 O LYS A 46 0.326 2.650 5.789 1.00 0.00 O ATOM 647 CB LYS A 46 -2.090 1.619 7.318 1.00 0.00 C ATOM 648 CG LYS A 46 -3.112 2.734 7.098 1.00 0.00 C ATOM 649 CD LYS A 46 -3.812 3.056 8.423 1.00 0.00 C ATOM 650 CE LYS A 46 -2.799 3.594 9.444 1.00 0.00 C ATOM 651 NZ LYS A 46 -2.167 2.449 10.159 1.00 0.00 N ATOM 0 H LYS A 46 -0.089 0.025 7.033 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.369 0.884 5.316 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.556 0.782 7.838 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.277 1.976 7.951 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.617 3.624 6.711 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.845 2.427 6.352 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.598 3.793 8.257 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.293 2.160 8.815 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.037 4.188 8.940 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.297 4.252 10.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.044 2.692 11.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.776 1.610 10.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.239 2.245 9.736 1.00 0.00 H new ATOM 665 N ILE A 47 -1.250 2.834 4.254 1.00 0.00 N ATOM 666 CA ILE A 47 -0.539 3.939 3.542 1.00 0.00 C ATOM 667 C ILE A 47 -1.484 5.112 3.314 1.00 0.00 C ATOM 668 O ILE A 47 -2.691 4.993 3.425 1.00 0.00 O ATOM 669 CB ILE A 47 -0.012 3.431 2.196 1.00 0.00 C ATOM 670 CG1 ILE A 47 -1.170 2.859 1.363 1.00 0.00 C ATOM 671 CG2 ILE A 47 1.035 2.345 2.442 1.00 0.00 C ATOM 672 CD1 ILE A 47 -0.679 2.547 -0.054 1.00 0.00 C ATOM 0 H ILE A 47 -2.139 2.560 3.836 1.00 0.00 H new ATOM 0 HA ILE A 47 0.297 4.274 4.156 1.00 0.00 H new ATOM 0 HB ILE A 47 0.442 4.257 1.649 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.556 1.954 1.832 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.992 3.574 1.325 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.413 1.981 1.487 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.859 2.759 3.024 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.581 1.520 2.991 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.502 2.141 -0.643 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.314 3.461 -0.522 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.128 1.816 -0.007 1.00 0.00 H new ATOM 684 N GLU A 48 -0.932 6.249 2.998 1.00 0.00 N ATOM 685 CA GLU A 48 -1.775 7.453 2.757 1.00 0.00 C ATOM 686 C GLU A 48 -2.411 7.375 1.368 1.00 0.00 C ATOM 687 O GLU A 48 -1.793 7.684 0.364 1.00 0.00 O ATOM 688 CB GLU A 48 -0.906 8.705 2.862 1.00 0.00 C ATOM 689 CG GLU A 48 -0.465 8.889 4.315 1.00 0.00 C ATOM 690 CD GLU A 48 0.471 10.096 4.419 1.00 0.00 C ATOM 691 OE1 GLU A 48 0.734 10.706 3.398 1.00 0.00 O ATOM 692 OE2 GLU A 48 0.905 10.389 5.522 1.00 0.00 O ATOM 0 H GLU A 48 0.072 6.397 2.896 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.568 7.497 3.504 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.035 8.613 2.214 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.464 9.579 2.525 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.336 9.035 4.954 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.042 7.991 4.668 1.00 0.00 H new ATOM 699 N TYR A 49 -3.651 6.973 1.309 1.00 0.00 N ATOM 700 CA TYR A 49 -4.356 6.876 0.001 1.00 0.00 C ATOM 701 C TYR A 49 -5.053 8.202 -0.302 1.00 0.00 C ATOM 702 O TYR A 49 -5.692 8.794 0.547 1.00 0.00 O ATOM 703 CB TYR A 49 -5.385 5.747 0.057 1.00 0.00 C ATOM 704 CG TYR A 49 -6.165 5.711 -1.236 1.00 0.00 C ATOM 705 CD1 TYR A 49 -5.581 5.176 -2.390 1.00 0.00 C ATOM 706 CD2 TYR A 49 -7.471 6.215 -1.283 1.00 0.00 C ATOM 707 CE1 TYR A 49 -6.301 5.142 -3.590 1.00 0.00 C ATOM 708 CE2 TYR A 49 -8.191 6.182 -2.483 1.00 0.00 C ATOM 709 CZ TYR A 49 -7.606 5.645 -3.636 1.00 0.00 C ATOM 710 OH TYR A 49 -8.317 5.612 -4.819 1.00 0.00 O ATOM 0 H TYR A 49 -4.210 6.705 2.119 1.00 0.00 H new ATOM 0 HA TYR A 49 -3.635 6.662 -0.788 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.885 4.792 0.219 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -6.062 5.899 0.898 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.573 4.789 -2.355 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -7.922 6.629 -0.394 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.850 4.728 -4.480 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.198 6.571 -2.519 1.00 0.00 H new ATOM 0 HH TYR A 49 -9.206 5.999 -4.677 1.00 0.00 H new ATOM 720 N LYS A 50 -4.920 8.670 -1.510 1.00 0.00 N ATOM 721 CA LYS A 50 -5.552 9.961 -1.892 1.00 0.00 C ATOM 722 C LYS A 50 -7.039 9.955 -1.531 1.00 0.00 C ATOM 723 O LYS A 50 -7.868 9.445 -2.262 1.00 0.00 O ATOM 724 CB LYS A 50 -5.396 10.163 -3.397 1.00 0.00 C ATOM 725 CG LYS A 50 -3.921 10.416 -3.727 1.00 0.00 C ATOM 726 CD LYS A 50 -3.730 10.485 -5.248 1.00 0.00 C ATOM 727 CE LYS A 50 -4.244 11.824 -5.787 1.00 0.00 C ATOM 728 NZ LYS A 50 -3.795 11.999 -7.196 1.00 0.00 N ATOM 0 H LYS A 50 -4.396 8.210 -2.255 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.064 10.772 -1.351 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.754 9.283 -3.932 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.003 11.006 -3.727 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.591 11.348 -3.268 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.304 9.620 -3.310 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.675 10.366 -5.495 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -4.263 9.664 -5.726 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -5.332 11.855 -5.735 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.872 12.643 -5.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.144 12.908 -7.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.756 11.987 -7.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -4.171 11.224 -7.779 1.00 0.00 H new ATOM 742 N GLY A 51 -7.372 10.532 -0.406 1.00 0.00 N ATOM 743 CA GLY A 51 -8.797 10.591 0.044 1.00 0.00 C ATOM 744 C GLY A 51 -8.928 9.911 1.410 1.00 0.00 C ATOM 745 O GLY A 51 -9.704 10.331 2.250 1.00 0.00 O ATOM 0 H GLY A 51 -6.707 10.972 0.230 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.127 11.628 0.109 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.440 10.097 -0.684 1.00 0.00 H new ATOM 749 N SER A 52 -8.180 8.868 1.644 1.00 0.00 N ATOM 750 CA SER A 52 -8.268 8.169 2.960 1.00 0.00 C ATOM 751 C SER A 52 -7.046 7.270 3.160 1.00 0.00 C ATOM 752 O SER A 52 -5.986 7.508 2.613 1.00 0.00 O ATOM 753 CB SER A 52 -9.532 7.312 3.004 1.00 0.00 C ATOM 754 OG SER A 52 -9.301 6.100 2.297 1.00 0.00 O ATOM 0 H SER A 52 -7.513 8.469 0.983 1.00 0.00 H new ATOM 0 HA SER A 52 -8.301 8.916 3.753 1.00 0.00 H new ATOM 0 HB2 SER A 52 -9.804 7.098 4.037 1.00 0.00 H new ATOM 0 HB3 SER A 52 -10.368 7.852 2.560 1.00 0.00 H new ATOM 0 HG SER A 52 -10.109 5.546 2.324 1.00 0.00 H new ATOM 760 N HIS A 53 -7.194 6.233 3.951 1.00 0.00 N ATOM 761 CA HIS A 53 -6.058 5.296 4.213 1.00 0.00 C ATOM 762 C HIS A 53 -6.284 3.978 3.468 1.00 0.00 C ATOM 763 O HIS A 53 -7.248 3.270 3.698 1.00 0.00 O ATOM 764 CB HIS A 53 -5.966 5.035 5.714 1.00 0.00 C ATOM 765 CG HIS A 53 -5.603 6.315 6.416 1.00 0.00 C ATOM 766 ND1 HIS A 53 -4.331 6.860 6.341 1.00 0.00 N ATOM 767 CD2 HIS A 53 -6.330 7.168 7.209 1.00 0.00 C ATOM 768 CE1 HIS A 53 -4.330 7.990 7.070 1.00 0.00 C ATOM 769 NE2 HIS A 53 -5.524 8.226 7.621 1.00 0.00 N ATOM 0 H HIS A 53 -8.062 5.995 4.430 1.00 0.00 H new ATOM 0 HA HIS A 53 -5.128 5.741 3.860 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -6.917 4.658 6.089 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -5.217 4.270 5.917 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -7.369 7.038 7.473 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -3.468 8.629 7.195 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -5.788 9.012 8.215 1.00 0.00 H new ATOM 777 N GLY A 54 -5.391 3.652 2.572 1.00 0.00 N ATOM 778 CA GLY A 54 -5.522 2.391 1.785 1.00 0.00 C ATOM 779 C GLY A 54 -4.760 1.258 2.474 1.00 0.00 C ATOM 780 O GLY A 54 -3.723 1.465 3.076 1.00 0.00 O ATOM 0 H GLY A 54 -4.568 4.212 2.349 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.574 2.124 1.685 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.134 2.540 0.777 1.00 0.00 H new ATOM 784 N TYR A 55 -5.276 0.059 2.381 1.00 0.00 N ATOM 785 CA TYR A 55 -4.606 -1.119 3.017 1.00 0.00 C ATOM 786 C TYR A 55 -4.160 -2.104 1.939 1.00 0.00 C ATOM 787 O TYR A 55 -4.880 -2.386 0.995 1.00 0.00 O ATOM 788 CB TYR A 55 -5.592 -1.806 3.958 1.00 0.00 C ATOM 789 CG TYR A 55 -5.922 -0.874 5.096 1.00 0.00 C ATOM 790 CD1 TYR A 55 -6.942 0.074 4.953 1.00 0.00 C ATOM 791 CD2 TYR A 55 -5.204 -0.956 6.294 1.00 0.00 C ATOM 792 CE1 TYR A 55 -7.243 0.941 6.010 1.00 0.00 C ATOM 793 CE2 TYR A 55 -5.506 -0.090 7.351 1.00 0.00 C ATOM 794 CZ TYR A 55 -6.525 0.859 7.210 1.00 0.00 C ATOM 795 OH TYR A 55 -6.821 1.713 8.252 1.00 0.00 O ATOM 0 H TYR A 55 -6.142 -0.158 1.887 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.733 -0.783 3.577 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -6.500 -2.076 3.419 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.162 -2.731 4.343 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -7.496 0.136 4.028 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -4.417 -1.687 6.403 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -8.029 1.673 5.900 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -4.952 -0.154 8.276 1.00 0.00 H new ATOM 0 HH TYR A 55 -6.411 1.378 9.076 1.00 0.00 H new ATOM 805 N VAL A 56 -2.968 -2.625 2.075 1.00 0.00 N ATOM 806 CA VAL A 56 -2.440 -3.599 1.074 1.00 0.00 C ATOM 807 C VAL A 56 -1.722 -4.740 1.795 1.00 0.00 C ATOM 808 O VAL A 56 -1.242 -4.588 2.903 1.00 0.00 O ATOM 809 CB VAL A 56 -1.466 -2.890 0.131 1.00 0.00 C ATOM 810 CG1 VAL A 56 -2.223 -1.832 -0.670 1.00 0.00 C ATOM 811 CG2 VAL A 56 -0.354 -2.218 0.944 1.00 0.00 C ATOM 0 H VAL A 56 -2.332 -2.415 2.844 1.00 0.00 H new ATOM 0 HA VAL A 56 -3.269 -4.006 0.495 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.022 -3.618 -0.548 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.534 -1.323 -1.344 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.011 -2.311 -1.251 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.665 -1.106 0.013 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.337 -1.714 0.268 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.792 -1.488 1.625 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.184 -2.973 1.517 1.00 0.00 H new ATOM 821 N ALA A 57 -1.657 -5.881 1.169 1.00 0.00 N ATOM 822 CA ALA A 57 -0.988 -7.058 1.792 1.00 0.00 C ATOM 823 C ALA A 57 0.532 -6.883 1.796 1.00 0.00 C ATOM 824 O ALA A 57 1.109 -6.260 0.924 1.00 0.00 O ATOM 825 CB ALA A 57 -1.361 -8.322 1.013 1.00 0.00 C ATOM 0 H ALA A 57 -2.044 -6.051 0.241 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.324 -7.146 2.825 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -0.874 -9.185 1.466 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.442 -8.460 1.040 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.034 -8.222 -0.022 1.00 0.00 H new ATOM 831 N LYS A 58 1.174 -7.450 2.778 1.00 0.00 N ATOM 832 CA LYS A 58 2.658 -7.360 2.878 1.00 0.00 C ATOM 833 C LYS A 58 3.308 -8.050 1.671 1.00 0.00 C ATOM 834 O LYS A 58 4.348 -7.641 1.189 1.00 0.00 O ATOM 835 CB LYS A 58 3.109 -8.058 4.161 1.00 0.00 C ATOM 836 CG LYS A 58 2.679 -7.231 5.374 1.00 0.00 C ATOM 837 CD LYS A 58 3.142 -7.919 6.662 1.00 0.00 C ATOM 838 CE LYS A 58 2.926 -6.978 7.852 1.00 0.00 C ATOM 839 NZ LYS A 58 1.502 -6.544 7.898 1.00 0.00 N ATOM 0 H LYS A 58 0.727 -7.980 3.527 1.00 0.00 H new ATOM 0 HA LYS A 58 2.959 -6.312 2.893 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.674 -9.056 4.216 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.192 -8.182 4.158 1.00 0.00 H new ATOM 0 HG2 LYS A 58 3.105 -6.230 5.312 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.595 -7.116 5.382 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.587 -8.845 6.812 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.195 -8.188 6.584 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.192 -7.483 8.780 1.00 0.00 H new ATOM 0 HE3 LYS A 58 3.578 -6.109 7.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.457 -5.514 8.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 1.034 -6.793 7.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 1.019 -7.021 8.686 1.00 0.00 H new ATOM 853 N GLU A 59 2.705 -9.103 1.193 1.00 0.00 N ATOM 854 CA GLU A 59 3.281 -9.840 0.027 1.00 0.00 C ATOM 855 C GLU A 59 3.530 -8.874 -1.136 1.00 0.00 C ATOM 856 O GLU A 59 4.430 -9.064 -1.934 1.00 0.00 O ATOM 857 CB GLU A 59 2.300 -10.925 -0.422 1.00 0.00 C ATOM 858 CG GLU A 59 2.209 -12.010 0.653 1.00 0.00 C ATOM 859 CD GLU A 59 1.179 -13.066 0.244 1.00 0.00 C ATOM 860 OE1 GLU A 59 0.625 -12.942 -0.837 1.00 0.00 O ATOM 861 OE2 GLU A 59 0.963 -13.983 1.019 1.00 0.00 O ATOM 0 H GLU A 59 1.835 -9.488 1.559 1.00 0.00 H new ATOM 0 HA GLU A 59 4.226 -10.293 0.325 1.00 0.00 H new ATOM 0 HB2 GLU A 59 1.316 -10.490 -0.598 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.630 -11.360 -1.365 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.184 -12.476 0.794 1.00 0.00 H new ATOM 0 HG3 GLU A 59 1.927 -11.565 1.607 1.00 0.00 H new ATOM 868 N TYR A 60 2.745 -7.840 -1.244 1.00 0.00 N ATOM 869 CA TYR A 60 2.941 -6.866 -2.357 1.00 0.00 C ATOM 870 C TYR A 60 3.903 -5.770 -1.903 1.00 0.00 C ATOM 871 O TYR A 60 4.249 -4.880 -2.661 1.00 0.00 O ATOM 872 CB TYR A 60 1.593 -6.234 -2.716 1.00 0.00 C ATOM 873 CG TYR A 60 0.581 -7.322 -3.004 1.00 0.00 C ATOM 874 CD1 TYR A 60 0.819 -8.248 -4.027 1.00 0.00 C ATOM 875 CD2 TYR A 60 -0.596 -7.405 -2.247 1.00 0.00 C ATOM 876 CE1 TYR A 60 -0.115 -9.255 -4.292 1.00 0.00 C ATOM 877 CE2 TYR A 60 -1.531 -8.413 -2.514 1.00 0.00 C ATOM 878 CZ TYR A 60 -1.289 -9.338 -3.536 1.00 0.00 C ATOM 879 OH TYR A 60 -2.208 -10.331 -3.801 1.00 0.00 O ATOM 0 H TYR A 60 1.975 -7.625 -0.610 1.00 0.00 H new ATOM 0 HA TYR A 60 3.351 -7.379 -3.227 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.244 -5.607 -1.895 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.704 -5.587 -3.586 1.00 0.00 H new ATOM 0 HD1 TYR A 60 1.725 -8.185 -4.612 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.782 -6.692 -1.458 1.00 0.00 H new ATOM 0 HE1 TYR A 60 0.070 -9.969 -5.081 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -2.438 -8.476 -1.932 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.966 -10.248 -3.185 1.00 0.00 H new ATOM 889 N ILE A 61 4.340 -5.828 -0.670 1.00 0.00 N ATOM 890 CA ILE A 61 5.281 -4.789 -0.149 1.00 0.00 C ATOM 891 C ILE A 61 6.675 -5.384 0.005 1.00 0.00 C ATOM 892 O ILE A 61 6.868 -6.414 0.625 1.00 0.00 O ATOM 893 CB ILE A 61 4.790 -4.278 1.206 1.00 0.00 C ATOM 894 CG1 ILE A 61 3.356 -3.743 1.068 1.00 0.00 C ATOM 895 CG2 ILE A 61 5.713 -3.162 1.693 1.00 0.00 C ATOM 896 CD1 ILE A 61 3.275 -2.684 -0.043 1.00 0.00 C ATOM 0 H ILE A 61 4.085 -6.553 0.001 1.00 0.00 H new ATOM 0 HA ILE A 61 5.320 -3.959 -0.855 1.00 0.00 H new ATOM 0 HB ILE A 61 4.799 -5.095 1.927 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.676 -4.565 0.844 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.032 -3.310 2.014 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.364 -2.797 2.659 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.727 -3.548 1.796 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.707 -2.344 0.972 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.251 -2.319 -0.124 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.939 -1.853 0.197 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.578 -3.128 -0.991 1.00 0.00 H new ATOM 908 N LYS A 62 7.652 -4.732 -0.571 1.00 0.00 N ATOM 909 CA LYS A 62 9.053 -5.233 -0.487 1.00 0.00 C ATOM 910 C LYS A 62 10.023 -4.060 -0.315 1.00 0.00 C ATOM 911 O LYS A 62 9.780 -2.952 -0.770 1.00 0.00 O ATOM 912 CB LYS A 62 9.401 -5.994 -1.770 1.00 0.00 C ATOM 913 CG LYS A 62 10.809 -6.583 -1.641 1.00 0.00 C ATOM 914 CD LYS A 62 11.142 -7.402 -2.888 1.00 0.00 C ATOM 915 CE LYS A 62 12.543 -7.999 -2.742 1.00 0.00 C ATOM 916 NZ LYS A 62 12.872 -8.801 -3.955 1.00 0.00 N ATOM 0 H LYS A 62 7.536 -3.867 -1.100 1.00 0.00 H new ATOM 0 HA LYS A 62 9.141 -5.898 0.372 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.676 -6.789 -1.943 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.351 -5.325 -2.629 1.00 0.00 H new ATOM 0 HG2 LYS A 62 11.538 -5.783 -1.515 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.870 -7.213 -0.754 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.408 -8.196 -3.022 1.00 0.00 H new ATOM 0 HD3 LYS A 62 11.094 -6.771 -3.775 1.00 0.00 H new ATOM 0 HE2 LYS A 62 13.276 -7.204 -2.609 1.00 0.00 H new ATOM 0 HE3 LYS A 62 12.591 -8.628 -1.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 13.824 -9.207 -3.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 12.178 -9.568 -4.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 12.843 -8.188 -4.795 1.00 0.00 H new ATOM 930 N ASP A 63 11.128 -4.314 0.340 1.00 0.00 N ATOM 931 CA ASP A 63 12.158 -3.256 0.565 1.00 0.00 C ATOM 932 C ASP A 63 11.529 -2.058 1.282 1.00 0.00 C ATOM 933 O ASP A 63 11.535 -0.945 0.791 1.00 0.00 O ATOM 934 CB ASP A 63 12.758 -2.823 -0.777 1.00 0.00 C ATOM 935 CG ASP A 63 14.005 -1.966 -0.527 1.00 0.00 C ATOM 936 OD1 ASP A 63 14.195 -1.547 0.602 1.00 0.00 O ATOM 937 OD2 ASP A 63 14.749 -1.751 -1.470 1.00 0.00 O ATOM 0 H ASP A 63 11.363 -5.225 0.734 1.00 0.00 H new ATOM 0 HA ASP A 63 12.954 -3.657 1.192 1.00 0.00 H new ATOM 0 HB2 ASP A 63 13.019 -3.699 -1.370 1.00 0.00 H new ATOM 0 HB3 ASP A 63 12.024 -2.257 -1.350 1.00 0.00 H new ATOM 942 N ILE A 64 10.993 -2.283 2.450 1.00 0.00 N ATOM 943 CA ILE A 64 10.365 -1.170 3.213 1.00 0.00 C ATOM 944 C ILE A 64 11.456 -0.288 3.820 1.00 0.00 C ATOM 945 O ILE A 64 12.028 -0.596 4.851 1.00 0.00 O ATOM 946 CB ILE A 64 9.483 -1.746 4.322 1.00 0.00 C ATOM 947 CG1 ILE A 64 8.341 -2.541 3.684 1.00 0.00 C ATOM 948 CG2 ILE A 64 8.905 -0.606 5.163 1.00 0.00 C ATOM 949 CD1 ILE A 64 7.584 -3.320 4.762 1.00 0.00 C ATOM 0 H ILE A 64 10.963 -3.193 2.909 1.00 0.00 H new ATOM 0 HA ILE A 64 9.751 -0.568 2.543 1.00 0.00 H new ATOM 0 HB ILE A 64 10.076 -2.398 4.963 1.00 0.00 H new ATOM 0 HG12 ILE A 64 7.661 -1.865 3.166 1.00 0.00 H new ATOM 0 HG13 ILE A 64 8.738 -3.228 2.937 1.00 0.00 H new ATOM 0 HG21 ILE A 64 8.277 -1.019 5.953 1.00 0.00 H new ATOM 0 HG22 ILE A 64 9.719 -0.034 5.608 1.00 0.00 H new ATOM 0 HG23 ILE A 64 8.307 0.048 4.528 1.00 0.00 H new ATOM 0 HD11 ILE A 64 6.773 -3.884 4.301 1.00 0.00 H new ATOM 0 HD12 ILE A 64 8.267 -4.008 5.261 1.00 0.00 H new ATOM 0 HD13 ILE A 64 7.173 -2.624 5.493 1.00 0.00 H new